Geometry & MOs

Info

ID:	419897
PubChem CID:	135109630
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	579.353303
ΔH_f, kcal/mol:	-49.33
Dipole, Da:	2.99
IP(EA), eV:	-9.0(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-11-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN(C)CC(=O)NCC2CCCCC2

DOS

IR

Vibrations